(E)-N-[[7-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-pyridin-4-ylprop-2-enamide

C23H22N4O2 — CID 45165951

IUPAC(E)-N-[[7-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-pyridin-4-ylprop-2-enamide
SMILESCc1cnc(C)c(-c2cccc3c2OC(CNC(=O)/C=C/c2ccncc2)C3)n1
InChIInChI=1S/C23H22N4O2/c1-15-13-25-16(2)22(27-15)20-5-3-4-18-12-19(29-23(18)20)14-26-21(28)7-6-17-8-10-24-11-9-17/h3-11,13,19H,12,14H2,1-2H3,(H,26,28)/b7-6+
InChIKeyGMXRERAXYRJSMJ-VOTSOKGWSA-N
MW386.46 g/mol
LogP3.29
Rot. Bonds5

About (E)-N-[[7-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-pyridin-4-ylprop-2-enamide

(E)-N-[[7-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-pyridin-4-ylprop-2-enamide (PubChem CID 45165951) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is (E)-N-[[7-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-pyridin-4-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[[7-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-pyridin-4-ylprop-2-enamide
PubChem CID45165951
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name(E)-N-[[7-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-pyridin-4-ylprop-2-enamide
SMILESCc1cnc(C)c(-c2cccc3c2OC(CNC(=O)/C=C/c2ccncc2)C3)n1
InChIInChI=1S/C23H22N4O2/c1-15-13-25-16(2)22(27-15)20-5-3-4-18-12-19(29-23(18)20)14-26-21(28)7-6-17-8-10-24-11-9-17/h3-11,13,19H,12,14H2,1-2H3,(H,26,28)/b7-6+
InChIKeyGMXRERAXYRJSMJ-VOTSOKGWSA-N
XLogP3.29
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-[[7-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-pyridin-4-ylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[7-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-pyridin-4-ylprop-2-enamide?
The IUPAC name of (E)-N-[[7-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-pyridin-4-ylprop-2-enamide (CID 45165951) is (E)-N-[[7-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-pyridin-4-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[[7-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-pyridin-4-ylprop-2-enamide?
The canonical SMILES for (E)-N-[[7-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-pyridin-4-ylprop-2-enamide is Cc1cnc(C)c(-c2cccc3c2OC(CNC(=O)/C=C/c2ccncc2)C3)n1.
What is the InChIKey of (E)-N-[[7-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-pyridin-4-ylprop-2-enamide?
The InChIKey is GMXRERAXYRJSMJ-VOTSOKGWSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-15-13-25-16(2)22(27-15)20-5-3-4-18-12-19(29-23(18)20)14-26-21(28)7-6-17-8-10-24-11-9-17/h3-11,13,19H,12,14H2,1-2H3,(H,26,28)/b7-6+.
What are the key properties of (E)-N-[[7-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-pyridin-4-ylprop-2-enamide?
(E)-N-[[7-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-pyridin-4-ylprop-2-enamide has a molecular weight of 386.46 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[7-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-pyridin-4-ylprop-2-enamide is sourced from PubChem (CID 45165951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).